CID 60396

2,3-dimethylphenyl carbamate

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=C(C(=CC=C1)OC(=O)N)C

InChI

InChI=1S/C9H11NO2/c1-6-4-3-5-8(7(6)2)12-9(10)11/h3-5H,1-2H3,(H2,10,11)

InChIKey

BRCWUAZOJNULLQ-UHFFFAOYSA-N

Compound name

(2,3-dimethylphenyl) carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 404
Patents: 165.07898 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.08626	133.9
[M+Na]+	188.06820	145.9
[M+NH4]+	183.11280	142.0
[M+K]+	204.04214	140.6
[M-H]-	164.07170	136.0
[M+Na-2H]-	186.05365	140.1
[M]+	165.07843	136.0
[M]-	165.07953	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe